Thiotropocin
TL;DR: Thiotropocin (CAS 89550-93-6) is a chemical compound with molecular formula C8H4O3S2 and molecular weight 211.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-sulfanylcyclohepta[c]oxathiole-3,4-dione
Also Known As: Thiotropocin, starbld0006428, 8-sulfanylcyclohepta[c]oxathiole-3,4-dione, Cyclohept(c)(1,2)oxathiol-3(8H)-one, 4-hydroxy-8-thioxo-, 4-Hydroxy-8-thioxocyclohept(c)-1,2-oxathiol-3(8H)-one
| Molecular Formula | C8H4O3S2 |
|---|---|
| Molecular Weight | 211.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.96019 |
| Heavy Atoms | 13 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 89550-93-6 |
|---|---|
| SMILES | C1=CC(=O)C2=C(C(=C1)S)SOC2=O |
| InChIKey | RWJXTYSZCDAMCD-UHFFFAOYSA-N |
Product Overview
Thiotropocin (CAS 89550-93-6), with molecular formula C8H4O3S2 and molecular weight 211.96 g/mol. IUPAC: 8-sulfanylcyclohepta[c]oxathiole-3,4-dione.
Chemical Property Profile of Thiotropocin
Property Insights of Thiotropocin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiotropocin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiotropocin. Following Lipinski's Rule of Five, Thiotropocin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiotropocin?
The CAS number of Thiotropocin is 89550-93-6.
What is the molecular formula of Thiotropocin?
The molecular formula of Thiotropocin is C8H4O3S2.
What is the molecular weight of Thiotropocin?
The molecular weight of Thiotropocin is 211.96 g/mol.
Where can I buy Thiotropocin?
You can request a quote for Thiotropocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiotropocin?
Yes, KEHONG BIO provides custom synthesis services for Thiotropocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.